N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide

C14H17NO2 — CID 16559700

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C14H17NO2/c1-9-8-11(9)14(16)15-12-6-7-17-13-5-3-2-4-10(12)13/h2-5,9,11-12H,6-8H2,1H3,(H,15,16)
InChIKeyIDLXROVVBKEMEG-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.28
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 16559700) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID16559700
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C14H17NO2/c1-9-8-11(9)14(16)15-12-6-7-17-13-5-3-2-4-10(12)13/h2-5,9,11-12H,6-8H2,1H3,(H,15,16)
InChIKeyIDLXROVVBKEMEG-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
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(1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
CID 124782058
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
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2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
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ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
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(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9091701
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
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3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119685138
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide (CID 16559700) is N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is IDLXROVVBKEMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-8-11(9)14(16)15-12-6-7-17-13-5-3-2-4-10(12)13/h2-5,9,11-12H,6-8H2,1H3,(H,15,16).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 231.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 16559700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).