N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

C14H17NO2 — CID 175826677

IUPACN-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCC1CC1)C1COc2ccccc2C1
InChIInChI=1S/C14H17NO2/c16-14(15-8-10-5-6-10)12-7-11-3-1-2-4-13(11)17-9-12/h1-4,10,12H,5-9H2,(H,15,16)
InChIKeyNOFCRGNTZMFWLJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.76
Rot. Bonds3

About N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 175826677) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID175826677
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCC1CC1)C1COc2ccccc2C1
InChIInChI=1S/C14H17NO2/c16-14(15-8-10-5-6-10)12-7-11-3-1-2-4-13(11)17-9-12/h1-4,10,12H,5-9H2,(H,15,16)
InChIKeyNOFCRGNTZMFWLJ-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 106123604
(3S)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 94020742
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113227517
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64867410
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
(3R)-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51546919
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578122

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 175826677) is N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCC1CC1)C1COc2ccccc2C1.
What is the InChIKey of N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NOFCRGNTZMFWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(15-8-10-5-6-10)12-7-11-3-1-2-4-13(11)17-9-12/h1-4,10,12H,5-9H2,(H,15,16).
What are the key properties of N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 231.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 175826677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).