N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide

C11H13NO — CID 45098245

IUPACN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
SMILESO=CN[C@H]1CCCc2ccccc21
InChIInChI=1S/C11H13NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H,12,13)/t11-/m0/s1
InChIKeySXEPYAAYPZBIEE-NSHDSACASA-N
MW175.23 g/mol
LogP1.81
Rot. Bonds2

About N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide (PubChem CID 45098245) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide.

Molecular Properties

Compound NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
PubChem CID45098245
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
SMILESO=CN[C@H]1CCCc2ccccc21
InChIInChI=1S/C11H13NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H,12,13)/t11-/m0/s1
InChIKeySXEPYAAYPZBIEE-NSHDSACASA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide
CID 145496732
6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide
CID 145081343
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide?
The IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide (CID 45098245) is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide.
What is the SMILES notation for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide?
The canonical SMILES for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide is O=CN[C@H]1CCCc2ccccc21.
What is the InChIKey of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide?
The InChIKey is SXEPYAAYPZBIEE-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H,12,13)/t11-/m0/s1.
What are the key properties of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide?
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide has a molecular weight of 175.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide is sourced from PubChem (CID 45098245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).