(4-cyclopropylnaphthalen-1-yl)carbamic acid

C14H13NO2 — CID 151361563

IUPAC(4-cyclopropylnaphthalen-1-yl)carbamic acid
SMILESO=C(O)Nc1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C14H13NO2/c16-14(17)15-13-8-7-10(9-5-6-9)11-3-1-2-4-12(11)13/h1-4,7-9,15H,5-6H2,(H,16,17)
InChIKeyOOOSTOAOOUENLY-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.81
Rot. Bonds2

About (4-cyclopropylnaphthalen-1-yl)carbamic acid

(4-cyclopropylnaphthalen-1-yl)carbamic acid (PubChem CID 151361563) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (4-cyclopropylnaphthalen-1-yl)carbamic acid.

Molecular Properties

Compound Name(4-cyclopropylnaphthalen-1-yl)carbamic acid
PubChem CID151361563
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(4-cyclopropylnaphthalen-1-yl)carbamic acid
SMILESO=C(O)Nc1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C14H13NO2/c16-14(17)15-13-8-7-10(9-5-6-9)11-3-1-2-4-12(11)13/h1-4,7-9,15H,5-6H2,(H,16,17)
InChIKeyOOOSTOAOOUENLY-UHFFFAOYSA-N
XLogP3.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylnaphthalen-1-yl)carbamic acid?
The IUPAC name of (4-cyclopropylnaphthalen-1-yl)carbamic acid (CID 151361563) is (4-cyclopropylnaphthalen-1-yl)carbamic acid.
What is the SMILES notation for (4-cyclopropylnaphthalen-1-yl)carbamic acid?
The canonical SMILES for (4-cyclopropylnaphthalen-1-yl)carbamic acid is O=C(O)Nc1ccc(C2CC2)c2ccccc12.
What is the InChIKey of (4-cyclopropylnaphthalen-1-yl)carbamic acid?
The InChIKey is OOOSTOAOOUENLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(17)15-13-8-7-10(9-5-6-9)11-3-1-2-4-12(11)13/h1-4,7-9,15H,5-6H2,(H,16,17).
What are the key properties of (4-cyclopropylnaphthalen-1-yl)carbamic acid?
(4-cyclopropylnaphthalen-1-yl)carbamic acid has a molecular weight of 227.26 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylnaphthalen-1-yl)carbamic acid is sourced from PubChem (CID 151361563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).